CID 5146818

82701-58-4

Structural Information

Molecular Formula
C20H21ClN4O4
SMILES
CCN(CCOC(=O)C(=C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C20H21ClN4O4/c1-4-24(11-12-29-20(26)14(2)3)16-7-5-15(6-8-16)22-23-19-10-9-17(25(27)28)13-18(19)21/h5-10,13H,2,4,11-12H2,1,3H3
InChIKey
UJXGDBTUUWCZLZ-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

416.12512 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.132396 200.7
[M+Na]+ 439.114338 204.4
[M-H]- 415.117844 210.3
[M+NH4]+ 434.158943 211.4
[M+K]+ 455.088278 197.7
[M+H-H2O]+ 399.122380 195.7
[M+HCOO]- 461.123321 224.6
[M+CH3COO]- 475.138971 233.0
[M+Na-2H]- 437.099786 203.0
[M]+ 416.12457142 206.0
[M]- 416.12566858 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe